N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide

C17H25N3O2 — CID 3923948

IUPACN-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide
SMILESCCCCC(=O)NN=C(C)CC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H25N3O2/c1-5-6-7-16(21)20-19-14(4)11-17(22)18-15-9-8-12(2)13(3)10-15/h8-10H,5-7,11H2,1-4H3,(H,18,22)(H,20,21)
InChIKeyXIQWIPIFWYXXBK-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.31
Rot. Bonds7

About N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide

N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide (PubChem CID 3923948) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide
PubChem CID3923948
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide
SMILESCCCCC(=O)NN=C(C)CC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H25N3O2/c1-5-6-7-16(21)20-19-14(4)11-17(22)18-15-9-8-12(2)13(3)10-15/h8-10H,5-7,11H2,1-4H3,(H,18,22)(H,20,21)
InChIKeyXIQWIPIFWYXXBK-UHFFFAOYSA-N
XLogP3.31
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-N'-[(E)-heptan-2-ylideneamino]butanediamide
CID 54784789
N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 6104390
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-[(4-anilino-4-oxobutan-2-ylidene)amino]dodecanamide
CID 4549541
N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide
CID 6122698
N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
CID 19685456
N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 6029887
2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
CID 54815382
N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 171979194
(3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6041509
N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
CID 3644436
(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide
CID 143175976

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide?
The IUPAC name of N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide (CID 3923948) is N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide.
What is the SMILES notation for N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide?
The canonical SMILES for N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide is CCCCC(=O)NN=C(C)CC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide?
The InChIKey is XIQWIPIFWYXXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-5-6-7-16(21)20-19-14(4)11-17(22)18-15-9-8-12(2)13(3)10-15/h8-10H,5-7,11H2,1-4H3,(H,18,22)(H,20,21).
What are the key properties of N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide?
N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide has a molecular weight of 303.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide is sourced from PubChem (CID 3923948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).